School of Freshwater Sciences, University of Wisconsin-Milwaukee, 600 E. Greenfield Ave, Milwaukee, WI 53204, United States.
Sci Total Environ. 2013 Feb 1;444:515-21. doi: 10.1016/j.scitotenv.2012.11.103. Epub 2013 Jan 4.
Current wastewater treatment processes are insufficient at removing many pharmaceutical and personal care products (PPCPs) from wastewater and it is necessary to identify the chemical characteristics that determine their fate. Models that predict the fate of various chemicals lack verification using in situ data, particularly for PPCPs. BIOWIN4 is a quantitative structure-activity relationship (QSAR) model that has been proposed to estimate the removal of PPCPs from wastewater, but data verifying the accuracy of its predictions is limited. In this study, the in situ soluble and suspended solid concentrations were assessed from raw influent, primary effluent, secondary effluent, and final effluent for 54 PPCPs and hormones over six dates. When assessing the removal efficiency across the different stages of the WWTP, the majority of the removal occurred across the secondary treatment process for the majority of the compounds. The primary treatment and disinfection process had limited impacts on the removal of most PPCPs. Sorption to solids was found to influence the removal for compounds with a log octanol-water partitioning coefficient greater than 4.5 across the secondary treatment process. For other compounds, the removal of PPCPs across the secondary treatment process was significantly correlated with the biodegradation predicted by BIOWIN4. Removal efficiencies across the aerobic secondary treatment process were predicted by integrating BIOWIN4 into pseudo-first order kinetics of PPCPs and these predicted values were compared to the in situ data. This study determines that under a certain set of operating conditions, two chemical characteristics - the expected hydrophobic interaction and the modeled biological degradation from BIOWIN4 - were found to predict the removal of highly degradable and recalcitrant PPCPs from a wastewater secondary treatment process.
当前的废水处理工艺在去除废水中的许多药物和个人护理产品（PPCPs）方面效果不足，因此有必要确定决定其命运的化学特性。用于预测各种化学物质命运的模型缺乏使用原位数据的验证，特别是对于 PPCPs。BIOWIN4 是一种定量结构-活性关系（QSAR）模型，用于预测 PPCPs 从废水中的去除，但验证其预测准确性的数据有限。在这项研究中，从六个日期的 raw influent、primary effluent、secondary effluent 和 final effluent 中评估了 54 种 PPCPs 和激素的原位可溶和悬浮固体浓度。在评估 WWTP 不同阶段的去除效率时，大多数去除发生在大多数化合物的二级处理过程中。初级处理和消毒过程对大多数 PPCPs 的去除影响有限。对于分配系数大于 4.5 的化合物，发现固相亲和作用会影响二级处理过程中的去除。对于其他化合物，二级处理过程中 PPCPs 的去除与 BIOWIN4 预测的生物降解显著相关。通过将 BIOWIN4 整合到 PPCPs 的拟一级动力学中，预测了好氧二级处理过程中的去除效率，并将这些预测值与原位数据进行了比较。本研究确定，在一定的操作条件下，两种化学特性 - BIOWIN4 预测的预期疏水相互作用和建模的生物降解 - 被发现可以预测高度可生物降解和难生物降解 PPCPs 从废水二级处理过程中的去除。
